HARIBOSS

Harnessing RIBOnucleic acid – Small molecules Structures


Compound 3KD

Identifiers

  • Canonical SMILES:
    O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@H]([C@@H]1O)[C@@H]23
  • IUPAC name:
    (1S,2S,12bS,12cS)-2,4,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol
  • InChi:
    InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1
  • InChiKey:
    XGVJWXAYKUHDOO-DANNLKNASA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links


72378

CHEMBL400092

RNA-SM complexes

PDB code Deposition date Reference publication
4u4u July 24, 2014 Garreau de Loubresse Nicolas, Prokhorova Irina, Holtkamp Wolf, Rodnina Marina V., Yusupova Gulnara, Yusupov Marat. . Structural basis for the inhibition of the eukaryotic ribosome Nature
4u4u July 24, 2014 Garreau de Loubresse Nicolas, Prokhorova Irina, Holtkamp Wolf, Rodnina Marina V., Yusupova Gulnara, Yusupov Marat. . Structural basis for the inhibition of the eukaryotic ribosome Nature

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 287.12 g/mol
HBA 5
HBD 2
HBA + HBD
AlogP 0.75
TPSA 62.16
RB 0

Radar chart